N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine

C17H28BrNO — CID 79483242

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(Cc1cc(Br)ccc1OC)CC(C)C
InChIInChI=1S/C17H28BrNO/c1-6-16(7-2)19(11-13(3)4)12-14-10-15(18)8-9-17(14)20-5/h8-10,13,16H,6-7,11-12H2,1-5H3
InChIKeyLFGACNZKVFGOHY-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.10
Rot. Bonds8

About N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine (PubChem CID 79483242) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine
PubChem CID79483242
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(Cc1cc(Br)ccc1OC)CC(C)C
InChIInChI=1S/C17H28BrNO/c1-6-16(7-2)19(11-13(3)4)12-14-10-15(18)8-9-17(14)20-5/h8-10,13,16H,6-7,11-12H2,1-5H3
InChIKeyLFGACNZKVFGOHY-UHFFFAOYSA-N
XLogP5.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine
CID 54971591
N-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870844
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63065906
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942779
2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
CID 82966035
N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 55026913
3-N-[(5-bromo-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040347
1-(5-bromo-2-methoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273515
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255077
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
4-bromo-2-[(5-bromo-2-methoxyphenyl)methyl]-1-[(2S)-2-methylbutoxy]benzene
CID 139605000
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137594

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine (CID 79483242) is N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine is CCC(CC)N(Cc1cc(Br)ccc1OC)CC(C)C.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine?
The InChIKey is LFGACNZKVFGOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-6-16(7-2)19(11-13(3)4)12-14-10-15(18)8-9-17(14)20-5/h8-10,13,16H,6-7,11-12H2,1-5H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine has a molecular weight of 342.32 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine is sourced from PubChem (CID 79483242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).